Cefonicid sodium 100mg

CAT: 0628-A17282-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A17282-100Size:100 mg

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CAS Number

61270-78-8

Chemical Information

Cefonicid Sodium

Cefonicid sodium is an organic sodium salt. It contains a cefonicid(2-).

CAS Number	61270-78-8
PubChem CID	43593
IUPAC Name	disodium;(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-3-[[1-(sulfonatomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Formula	C18H16N6Na2O8S3
Molecular Weight	586.5
Topological Polar Surface Area	270
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	7
Heavy Atom Count	37
Formal Charge	0
Complexity	980

SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)O)C(=O)[O-])CSC4=NN=NN4CS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H18N6O8S3.2Na/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32;;/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32);;/q;2*+1/p-2/t11-,13-,16-;;/m1../s1

InChIKey

NAXFZVGOZUWLEP-RFXDPDBWSA-L

Chemical Structure

2D Structure

CAS: 61270-78-8

CID: 43593

Formula: C18H16N6Na2O8S3

MW: 586.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	586.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	7
Exact Mass	585.99871357
Monoisotopic Mass	585.99871357
Topological Polar Surface Area	270 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	980
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
317390	Cefonicid Sodium
HY-B1300-01	Cefonicid (sodium)
C3812-500	Cefonicid (sodium salt)
HY-B1300R	Cefonicid (sodium) (Standard)
RM-C051501-01	Cefonicid Sodium Impurity 1

Cefonicid sodium 100mg

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